amino(7-bicyclo[2.2.1]heptanyl)methanediol

C8H15NO2 — CID 146232625

IUPACamino(7-bicyclo[2.2.1]heptanyl)methanediol
SMILESNC(O)(O)C1C2CCC1CC2
InChIInChI=1S/C8H15NO2/c9-8(10,11)7-5-1-2-6(7)4-3-5/h5-7,10-11H,1-4,9H2
InChIKeyYQTJEVSMTDHVFF-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.02
Rot. Bonds1

About amino(7-bicyclo[2.2.1]heptanyl)methanediol

amino(7-bicyclo[2.2.1]heptanyl)methanediol (PubChem CID 146232625) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is amino(7-bicyclo[2.2.1]heptanyl)methanediol.

Molecular Properties

Compound Nameamino(7-bicyclo[2.2.1]heptanyl)methanediol
PubChem CID146232625
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameamino(7-bicyclo[2.2.1]heptanyl)methanediol
SMILESNC(O)(O)C1C2CCC1CC2
InChIInChI=1S/C8H15NO2/c9-8(10,11)7-5-1-2-6(7)4-3-5/h5-7,10-11H,1-4,9H2
InChIKeyYQTJEVSMTDHVFF-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino(7-bicyclo[2.2.1]heptanyl)methanediol?
The IUPAC name of amino(7-bicyclo[2.2.1]heptanyl)methanediol (CID 146232625) is amino(7-bicyclo[2.2.1]heptanyl)methanediol.
What is the SMILES notation for amino(7-bicyclo[2.2.1]heptanyl)methanediol?
The canonical SMILES for amino(7-bicyclo[2.2.1]heptanyl)methanediol is NC(O)(O)C1C2CCC1CC2.
What is the InChIKey of amino(7-bicyclo[2.2.1]heptanyl)methanediol?
The InChIKey is YQTJEVSMTDHVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c9-8(10,11)7-5-1-2-6(7)4-3-5/h5-7,10-11H,1-4,9H2.
What are the key properties of amino(7-bicyclo[2.2.1]heptanyl)methanediol?
amino(7-bicyclo[2.2.1]heptanyl)methanediol has a molecular weight of 157.21 g/mol, XLogP of 0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino(7-bicyclo[2.2.1]heptanyl)methanediol is sourced from PubChem (CID 146232625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).